(2-methoxy-2-oxidanylidene-ethyl) 1-(2-cyano-4-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 1-(2-cyano-4-nitro-phenyl)piperidine-4-carboxylate Openeye Name: (2-methoxy-2-oxo-ethyl) 1-(2-cyano-4-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-(2-cyano-4-nitrophenyl)-4-piperidinecarboxylic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 1-(2-cyano-4-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-cyano-4-nitro-phenyl)isonipecotic acid (2-keto-2-methoxy-ethyl) ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H17N3O6/c1-24-15(20)10-25-16(21)11-4-6-18(7-5-11)14-3-2-13(19(22)23)8-12(14)9-17/h2-3,8,11H,4-7,10H2,1H3